N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine

C12H18N4S — CID 103700717

IUPACN-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
SMILESCc1cnc(CNCc2cnn(C(C)C)c2)s1
InChIInChI=1S/C12H18N4S/c1-9(2)16-8-11(6-15-16)5-13-7-12-14-4-10(3)17-12/h4,6,8-9,13H,5,7H2,1-3H3
InChIKeyOEJIAGUZDATKCE-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.52
Rot. Bonds5

About N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine

N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine (PubChem CID 103700717) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
PubChem CID103700717
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC NameN-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
SMILESCc1cnc(CNCc2cnn(C(C)C)c2)s1
InChIInChI=1S/C12H18N4S/c1-9(2)16-8-11(6-15-16)5-13-7-12-14-4-10(3)17-12/h4,6,8-9,13H,5,7H2,1-3H3
InChIKeyOEJIAGUZDATKCE-UHFFFAOYSA-N
XLogP2.52
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 104599634
1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]urea
CID 97219054
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 61270975
2-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 115623017
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
CID 114075506
N-(1,2,4-oxadiazol-3-ylmethyl)-1-(1-propan-2-ylpyrazol-4-yl)methanamine
CID 106393002
2-[(1-propan-2-ylpyrazol-4-yl)methylamino]ethanol;hydrochloride
CID 126967018
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 61270976
2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol
CID 115623040
1-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 115622994
N-[(1-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine;hydrochloride
CID 126967036
N-[(1-methylcyclopropyl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
CID 103724276

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine?
The IUPAC name of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine (CID 103700717) is N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine?
The canonical SMILES for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine is Cc1cnc(CNCc2cnn(C(C)C)c2)s1.
What is the InChIKey of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine?
The InChIKey is OEJIAGUZDATKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-9(2)16-8-11(6-15-16)5-13-7-12-14-4-10(3)17-12/h4,6,8-9,13H,5,7H2,1-3H3.
What are the key properties of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine?
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine has a molecular weight of 250.37 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine is sourced from PubChem (CID 103700717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).